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Updated: Aug 15, 2026

Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
Density-functional theory studies on standard electrode potentials of half reaction for L-adrenaline and
Yuanzhi Song1, JianFeng Zhou, Yang Song
1Chemistry Department, Huaiyin Teachers College, Jiangsu Province Key Laboratory for Chemistry of Low-Dimensional Materials, Huai An 223300, People's Republic of China. songyuanzhi@sina.com.cn
Abstract:
DFT (B3LY/6-31G(d) and B3PW91/6-31G(d)) calculations are performed for L-adrenaline and adrenalinequinone. The calculated IR spectrum of L-adrenaline is used for the assignment of IR frequencies that are observed in the experimental IR spectrum. Cyclic voltammetry with a platinum electrode of L-adrenaline solutions in phosphate buffers at pH 1 shows that standard electrode potential of half reaction for L-adrenaline and adrenalinequinone is 0.803 V. Standard electrode potential of half reaction for L-adrenaline and adrenalinequinone is calculated using the energies of solvation and the sum of electronic and thermal free energies of L-adrenaline and adrenalinequinone.
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